ChemSpider 2D Image | 1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[(2S)-1-(1-piperidinyl)-2-propanyl]-1H-indol-5-yl}-2-methyl-1-propanone | C34H45N3O

1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[(2S)-1-(1-piperidinyl)-2-propanyl]-1H-indol-5-yl}-2-methyl-1-propanone

  • Molecular FormulaC34H45N3O
  • Average mass511.741 Da
  • Monoisotopic mass511.356262 Da
  • ChemSpider ID8089994

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[(2S)-1-(1-piperidinyl)-2-propanyl]-1H-indol-5-yl}-2-methyl-1-propanon [German] [ACD/IUPAC Name]
1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethylphenyl)-3-[(2S)-1-(1-piperidinyl)-2-propanyl]-1H-indol-5-yl}-2-methyl-1-propanone [ACD/IUPAC Name]
1-(7-Azabicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-diméthylphényl)-3-[(2S)-1-(1-pipéridinyl)-2-propanyl]-1H-indol-5-yl}-2-méthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(7-azabicyclo[2.2.1]hept-7-yl)-2-[2-(3,5-dimethylphenyl)-3-[(1S)-1-methyl-2-(1-piperidinyl)ethyl]-1H-indol-5-yl]-2-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 690.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.4±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 157.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.77
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 111.33
ACD/KOC (pH 5.5): 137.62
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 987.35
ACD/KOC (pH 7.4): 1220.47
Polar Surface Area: 39 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 456.0±3.0 cm3

Click to predict properties on the Chemicalize site


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